SCHEMBL9267334

SCHEMBL9267334

CC=C(C(=O)O)C(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
EP300 Q09472 1/20 0.38
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32
OR51E2 Q9H255 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17565792 0.85 FFAR3 (0.39) FFAR3CES2CES1TDP1ALDH1A1
SCHEMBL7103464 0.81 TSHR (0.38) FFAR3EP300TSHR
SCHEMBL7103467 0.81 TSHR (0.38) FFAR3EP300TSHR
SCHEMBL17610271 0.75 FFAR3 (0.33) FFAR3EP300CES2CES1
SCHEMBL3355710 0.75 FFAR3 (0.33) FFAR3EP300CES2CES1
SCHEMBL166922 0.75 FFAR3 (0.33) FFAR3EP300CES2CES1
SCHEMBL9267326 0.75 FFAR3 (0.33) FFAR3EP300CES2CES1
SCHEMBL216025 0.75
SCHEMBL5697356 0.74 EP300 (0.32) FFAR3EP300
SCHEMBL30444526 0.74 EP300 (0.32) FFAR3EP300

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432182-A Inhibitors of gastric acid secretion SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-07-11 US disclosed
US-5089504-A SUBSTITUTED 4-AMINOQUINOLINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 US disclosed